2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine

C12H21N3S — CID 63381863

IUPAC2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine
SMILESCCC(C)(C)NCC(C)Sc1cnccn1
InChIInChI=1S/C12H21N3S/c1-5-12(3,4)15-8-10(2)16-11-9-13-6-7-14-11/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyIHHYLKGZAZXTPA-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine

2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine (PubChem CID 63381863) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine
PubChem CID63381863
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine
SMILESCCC(C)(C)NCC(C)Sc1cnccn1
InChIInChI=1S/C12H21N3S/c1-5-12(3,4)15-8-10(2)16-11-9-13-6-7-14-11/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyIHHYLKGZAZXTPA-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine?
The IUPAC name of 2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine (CID 63381863) is 2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine?
The canonical SMILES for 2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine is CCC(C)(C)NCC(C)Sc1cnccn1.
What is the InChIKey of 2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine?
The InChIKey is IHHYLKGZAZXTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-5-12(3,4)15-8-10(2)16-11-9-13-6-7-14-11/h6-7,9-10,15H,5,8H2,1-4H3.
What are the key properties of 2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine?
2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrazin-2-ylsulfanylpropyl)butan-2-amine is sourced from PubChem (CID 63381863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).